(4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole

C25H30N2O2 — CID 66896934

IUPAC(4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)C1COC(C(C)(C)C2=N[C@@H](C(C)c3ccccc3)CO2)=N1
InChIInChI=1S/C25H30N2O2/c1-17(19-11-7-5-8-12-19)21-15-28-23(26-21)25(3,4)24-27-22(16-29-24)18(2)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3/t17?,18?,21-,22?/m1/s1
InChIKeyRDOWVUNJCCRVGP-AJBDXYCMSA-N
MW390.53 g/mol
LogP5.21
Rot. Bonds6

About (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 66896934) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID66896934
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(c1ccccc1)C1COC(C(C)(C)C2=N[C@@H](C(C)c3ccccc3)CO2)=N1
InChIInChI=1S/C25H30N2O2/c1-17(19-11-7-5-8-12-19)21-15-28-23(26-21)25(3,4)24-27-22(16-29-24)18(2)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3/t17?,18?,21-,22?/m1/s1
InChIKeyRDOWVUNJCCRVGP-AJBDXYCMSA-N
XLogP5.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 66896934) is (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(c1ccccc1)C1COC(C(C)(C)C2=N[C@@H](C(C)c3ccccc3)CO2)=N1.
What is the InChIKey of (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RDOWVUNJCCRVGP-AJBDXYCMSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17(19-11-7-5-8-12-19)21-15-28-23(26-21)25(3,4)24-27-22(16-29-24)18(2)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3/t17?,18?,21-,22?/m1/s1.
What are the key properties of (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 390.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 66896934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).